methyl 4-(3-azanyl-2-oxidanyl-propoxy)-3-methoxy-benzoate

Systemtic Name: methyl 4-(3-azanyl-2-oxidanyl-propoxy)-3-methoxy-benzoate Openeye Name: methyl 4-(3-amino-2-hydroxy-propoxy)-3-methoxy-benzoate CAS Name: 4-(3-amino-2-hydroxypropoxy)-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-2-hydroxypropoxy)-3-methoxybenzoate Traditional Name: 4-(3-amino-2-hydroxy-propoxy)-3-methoxy-benzoic acid methyl ester Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CN)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(CN)O

InChI

InChI=1S/C12H17NO5/c1-16-11-5-8(12(15)17-2)3-4-10(11)18-7-9(14)6-13/h3-5,9,14H,6-7,13H2,1-2H3